HRID2159163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6212

Chloroform

CHCl3

HCID9834204

未命名化合物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)s2)c1

HCID75992333

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C3(O)CCC(C(=O)O)C(C)(C)C3)s2)c1Br

HCID68218236

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bde1f1ec8b3e4dfe913b8290553e9c95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:36][NH:37][C:38](=[O:39])[CH2:40][CH2:41][C:42]([NH2:43])=[O:44].[CH:45]([Cl:46])([Cl:47])[Cl:48].[OH:1][C:2]1([c:13]2[s:14][c:15](-[c:18]3[cH:19][c:20]([CH3:35])[cH:21][c:22]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[n:30]4)[cH:23]3)[cH:16][n:17]2)[CH2:3][C:4]([CH3:11])([CH3:12])[CH:5]([C:8](=[O:9])[OH:10])[CH2:6][CH2:7]1>>[OH:1][C:2]1([c:13]2[s:14][c:15](-[c:18]3[c:19]([Br:36])[c:20]([CH3:35])[cH:21][c:22]([NH:24][c:25]4[n:26][cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[n:30]4)[cH:23]3)[cH:16][n:17]2)[CH2:3][C:4]([CH3:11])([CH3:12])[CH:5]([C:8](=[O:9])[OH:10])[CH2:6][CH2:7]1